UCSF

ZINC40105832

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.51 0.08 -13.48 1 8 0 76 373.523 5
Mid Mid (pH 6-8) 0.51 2.46 -56.59 2 8 1 77 374.531 5
Mid Mid (pH 6-8) 0.51 2.25 -52.71 2 8 1 77 374.531 5
Lo Low (pH 4.5-6) 0.51 4.63 -122.49 3 8 2 79 375.539 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )